3-(azulen-1-ylmethylidene)-1H-indol-2-one

C19H13NO — CID 57390079

IUPAC3-(azulen-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1ccc2cccccc1-2
InChIInChI=1S/C19H13NO/c21-19-17(16-8-4-5-9-18(16)20-19)12-14-11-10-13-6-2-1-3-7-15(13)14/h1-12H,(H,20,21)
InChIKeyJASLPUAXLBHAQT-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.28
Rot. Bonds1

About 3-(azulen-1-ylmethylidene)-1H-indol-2-one

3-(azulen-1-ylmethylidene)-1H-indol-2-one (PubChem CID 57390079) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(azulen-1-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(azulen-1-ylmethylidene)-1H-indol-2-one
PubChem CID57390079
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name3-(azulen-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1ccc2cccccc1-2
InChIInChI=1S/C19H13NO/c21-19-17(16-8-4-5-9-18(16)20-19)12-14-11-10-13-6-2-1-3-7-15(13)14/h1-12H,(H,20,21)
InChIKeyJASLPUAXLBHAQT-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(azulen-1-ylmethylidene)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one
CID 59301647
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
1,4-diphenylbenzene;1H-indole-2,3-dione
CID 175350104
methyl 4-[5-methyl-2-[(2-oxo-1H-indol-3-ylidene)methyl]phenyl]benzoate
CID 54053046
(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 6270282
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 2360379
CID 57369962
CID 57369962
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
CID 163155804
(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
CID 59301657
3-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 2741418
(3E)-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1H-indol-2-one
CID 964191
(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
CID 126124105

Frequently Asked Questions

What is the IUPAC name of 3-(azulen-1-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 3-(azulen-1-ylmethylidene)-1H-indol-2-one (CID 57390079) is 3-(azulen-1-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(azulen-1-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 3-(azulen-1-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1ccc2cccccc1-2.
What is the InChIKey of 3-(azulen-1-ylmethylidene)-1H-indol-2-one?
The InChIKey is JASLPUAXLBHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c21-19-17(16-8-4-5-9-18(16)20-19)12-14-11-10-13-6-2-1-3-7-15(13)14/h1-12H,(H,20,21).
What are the key properties of 3-(azulen-1-ylmethylidene)-1H-indol-2-one?
3-(azulen-1-ylmethylidene)-1H-indol-2-one has a molecular weight of 271.32 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azulen-1-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57390079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).